Crystallography Open Database

Information card for entry 4343289

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Coordinates	4343289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H201 Cu4 Gd9 N4 O55 P6
Calculated formula	C107 H201 Cu4 Gd9 N4 O55 P6
Title of publication	Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.
Authors of publication	Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.
Journal of publication	Inorganic chemistry
Year of publication	2015
Pages of publication	150610150327001
a	20.5695 ± 0.0003 Å
b	20.5695 ± 0.0003 Å
c	33.1977 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	12164.3 ± 0.3 Å³
Cell temperature	150.1 ± 0.1 K
Ambient diffraction temperature	150.1 ± 0.1 K
Number of distinct elements	7
Space group number	146
Hermann-Mauguin space group symbol	R 3
Hall space group symbol	R 3
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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